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SMILES: COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)C33CC3)nccc2cc1C(N)=O

InChI Key: InChIKey=PANBPURSJSQXPA-ZIAGYGMSSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 319572   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM319572
PNG
(1-(((4S,7S)-7-fluoro-6-oxo-5-azaspiro[2.4]heptan-4...)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)C33CC3)nccc2cc1C(N)=O |r|
Show InChI InChI=1S/C18H18FN3O4/c1-25-12-7-10-9(6-11(12)15(20)23)2-5-21-17(10)26-8-13-18(3-4-18)14(19)16(24)22-13/h2,5-7,13-14H,3-4,8H2,1H3,(H2,20,23)(H,22,24)/t13-,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10174000 (2019)


BindingDB Entry DOI: 10.7270/Q27S7QWQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM319572
PNG
(1-(((4S,7S)-7-fluoro-6-oxo-5-azaspiro[2.4]heptan-4...)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)C33CC3)nccc2cc1C(N)=O |r|
Show InChI InChI=1S/C18H18FN3O4/c1-25-12-7-10-9(6-11(12)15(20)23)2-5-21-17(10)26-8-13-18(3-4-18)14(19)16(24)22-13/h2,5-7,13-14H,3-4,8H2,1H3,(H2,20,23)(H,22,24)/t13-,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10174000 (2019)


BindingDB Entry DOI: 10.7270/Q27S7QWQ
More data for this
Ligand-Target Pair